============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 12 1.040 0.047 -1.934 17.145 -99.200 -91.000 TRP6 12 1.020 1.534 -1.914 18.986 -99.200 -91.000 TYR 17 0.840 -9.361 0.553 0.049 -99.200 -91.000 TYR 44 0.840 1.545 1.618 -6.738 -99.200 -91.000 TRP 68 1.040 21.677 -19.377 -12.643 -99.200 -91.000 TRP6 68 1.020 23.571 -19.365 -14.042 -99.200 -91.000 PHE 82 1.000 15.462 -23.450 -6.773 -99.200 -91.000 TYR 113 0.840 9.370 -7.646 -20.688 -99.200 -91.000 PHE 121 1.000 10.725 -2.700 -10.701 -99.200 -91.000 TYR 128 0.840 4.643 4.561 -9.496 -99.200 -91.000 PHE 139 1.000 10.271 0.481 -1.140 -99.200 -91.000 HIS 143 0.900 16.530 -8.505 -4.241 -99.200 -91.000 PHE 151 1.000 14.794 4.730 5.289 -99.200 -91.000 HIS 166 0.900 -7.937 4.207 -5.363 -99.200 -91.000 TYR 172 0.840 -5.291 -6.697 -2.314 -99.200 -91.000 HIS 175 0.900 -0.336 -8.952 -3.953 -99.200 -91.000 PHE 180 1.000 3.442 -19.344 -9.260 -99.200 -91.000 PHE 182 1.000 8.212 -21.268 -13.526 -99.200 -91.000 TRP 195 1.040 -5.024 -22.276 3.609 -99.200 -91.000 TRP6 195 1.020 -3.083 -21.273 2.701 -99.200 -91.000 TYR 214 0.840 9.585 -14.992 12.462 -99.200 -91.000 PHE 241 1.000 1.123 -15.834 9.384 -99.200 -91.000 TRP 250 1.040 -10.237 -3.469 19.261 -99.200 -91.000 TRP6 250 1.020 -9.555 -1.451 18.236 -99.200 -91.000 PHE 252 1.000 -12.975 -6.253 9.249 -99.200 -91.000 PHE 254 1.000 -15.103 -4.224 20.303 -99.200 -91.000 PHE 255 1.000 -13.134 1.347 16.379 -99.200 -91.000 PHE 267 1.000 -20.310 19.702 4.228 -99.200 -91.000 TRP 273 1.040 -17.137 37.595 -4.660 -99.200 -91.000 TRP6 273 1.020 -18.399 39.588 -4.827 -99.200 -91.000 PHE 274 1.000 -14.106 40.456 -8.949 -99.200 -91.000 TYR 304 0.840 -18.362 25.050 5.126 -99.200 -91.000 PHE 326 1.000 -16.391 14.272 7.750 -99.200 -91.000